(E)-N-ethyl-2-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)but-2-en-1-imine

C12H20N2 — CID 166963574

IUPAC(E)-N-ethyl-2-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)but-2-en-1-imine
SMILESC/C=C(\C=N\CC)C1=NCC(C)CC1
InChIInChI=1S/C12H20N2/c1-4-11(9-13-5-2)12-7-6-10(3)8-14-12/h4,9-10H,5-8H2,1-3H3/b11-4+,13-9+
InChIKeyKVFJXDJTALZDGF-PXHRWDJLSA-N
MW192.31 g/mol
LogP2.89
Rot. Bonds3

About (E)-N-ethyl-2-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)but-2-en-1-imine

(E)-N-ethyl-2-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)but-2-en-1-imine (PubChem CID 166963574) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (E)-N-ethyl-2-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-ethyl-2-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)but-2-en-1-imine
PubChem CID166963574
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(E)-N-ethyl-2-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)but-2-en-1-imine
SMILESC/C=C(\C=N\CC)C1=NCC(C)CC1
InChIInChI=1S/C12H20N2/c1-4-11(9-13-5-2)12-7-6-10(3)8-14-12/h4,9-10H,5-8H2,1-3H3/b11-4+,13-9+
InChIKeyKVFJXDJTALZDGF-PXHRWDJLSA-N
XLogP2.89
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-2-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)but-2-en-1-imine?
The IUPAC name of (E)-N-ethyl-2-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)but-2-en-1-imine (CID 166963574) is (E)-N-ethyl-2-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)but-2-en-1-imine.
What is the SMILES notation for (E)-N-ethyl-2-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)but-2-en-1-imine?
The canonical SMILES for (E)-N-ethyl-2-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)but-2-en-1-imine is C/C=C(\C=N\CC)C1=NCC(C)CC1.
What is the InChIKey of (E)-N-ethyl-2-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)but-2-en-1-imine?
The InChIKey is KVFJXDJTALZDGF-PXHRWDJLSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-11(9-13-5-2)12-7-6-10(3)8-14-12/h4,9-10H,5-8H2,1-3H3/b11-4+,13-9+.
What are the key properties of (E)-N-ethyl-2-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)but-2-en-1-imine?
(E)-N-ethyl-2-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)but-2-en-1-imine has a molecular weight of 192.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-2-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)but-2-en-1-imine is sourced from PubChem (CID 166963574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).